3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine

C15H14ClNO — CID 46886875

IUPAC3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1cccc2c1OCN(c1ccc(Cl)cc1)C2
InChIInChI=1S/C15H14ClNO/c1-11-3-2-4-12-9-17(10-18-15(11)12)14-7-5-13(16)6-8-14/h2-8H,9-10H2,1H3
InChIKeyFCYKPBTZKJKYQV-UHFFFAOYSA-N
MW259.74 g/mol
LogP4.00
Rot. Bonds1

About 3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine

3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine (PubChem CID 46886875) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine
PubChem CID46886875
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine
SMILESCc1cccc2c1OCN(c1ccc(Cl)cc1)C2
InChIInChI=1S/C15H14ClNO/c1-11-3-2-4-12-9-17(10-18-15(11)12)14-7-5-13(16)6-8-14/h2-8H,9-10H2,1H3
InChIKeyFCYKPBTZKJKYQV-UHFFFAOYSA-N
XLogP4.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine?
The IUPAC name of 3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine (CID 46886875) is 3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine.
What is the SMILES notation for 3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine?
The canonical SMILES for 3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine is Cc1cccc2c1OCN(c1ccc(Cl)cc1)C2.
What is the InChIKey of 3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine?
The InChIKey is FCYKPBTZKJKYQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-11-3-2-4-12-9-17(10-18-15(11)12)14-7-5-13(16)6-8-14/h2-8H,9-10H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine?
3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine has a molecular weight of 259.74 g/mol, XLogP of 4.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-8-methyl-2,4-dihydro-1,3-benzoxazine is sourced from PubChem (CID 46886875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).